SCHEMBL24338296

SCHEMBL24338296

CN1CCC(C[C@@H](O)CO)CC1

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NCF1 P14598 1/20 0.45
MAPT P10636 1/20 0.34
ATM Q13315 1/20 0.34
ALDH1A1 P00352 1/20 0.32
LMNA P02545 1/20 0.32
GNAI3 P08754 1/20 0.32
GNAO1 P09471 1/20 0.32
GNAI1 P63096 1/20 0.32
HRH3 Q9Y5N1 2/20 0.32
KDM4E B2RXH2 1/20 0.32
GLA P06280 1/20 0.32
HRH4 Q9H3N8 1/20 0.32
ACHE P22303 2/20 0.31
CACNA2D1 P54289 1/20 0.31
CACNA1B Q00975 1/20 0.31
CACNB1 Q02641 1/20 0.31
CACNA1C Q13936 1/20 0.31
CYP3A4 P08684 1/20 0.30
CYP2D6 P10635 1/20 0.30

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL24337705 0.82 NCF1 (0.43) NCF1LMNAGNAI3GNAO1GNAI1
SCHEMBL1978249 0.79
SCHEMBL15129648 0.79
SCHEMBL15129418 0.79
SCHEMBL26635854 0.79 NCF1 (0.45) NCF1GNAI3GNAO1GNAI1HRH3
SCHEMBL26636987 0.79 NCF1 (0.45) NCF1GNAI3GNAO1GNAI1HRH3
SCHEMBL26635857 0.79 NCF1 (0.45) NCF1GNAI3GNAO1GNAI1HRH3
SCHEMBL12423890 0.78 NCF1 (0.48) NCF1GNAI3GNAO1GNAI1HRH3
SCHEMBL21886394 0.78 NCF1 (0.48) NCF1GNAI3GNAO1GNAI1HRH3
SCHEMBL1504772 0.77 NCF1 (0.46) NCF1GNAI3GNAO1GNAI1HRH3

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230203063-A1 TRICYCLIC PYRIDONES AND PYRIMIDONES ERASCA, INC. 2023-06-29 US disclosed
US-20230159563-A1 TRICYCLIC PYRIDONES AND PYRIMIDONES ERASCA, INC. 2023-05-25 US disclosed
US-20220119409-A1 TRICYCLIC PYRIDONES AND PYRIMIDONES ERASCA, INC. 2022-04-21 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (3 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20230203063-A1 TRICYCLIC PYRIDONES AND PYRIMIDONES TYMS, TYMP, DHFR NCF1 1626/4885MAPT 1569/4885ATM 3833/4885
US-20220119409-A1 TRICYCLIC PYRIDONES AND PYRIMIDONES DHFR, TYMS, TYMP NCF1 1781/4885MAPT 1294/4885ATM 3646/4885
US-20230159563-A1 TRICYCLIC PYRIDONES AND PYRIMIDONES KRAS, NRAS, HRAS NCF1 2299/4885MAPT 4642/4885ATM 2038/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.